2-[2-[di(propan-2-yl)amino]ethoxy]-3-methyl-N-propan-2-ylbutan-1-amine

C16H36N2O — CID 115505833

IUPAC2-[2-[di(propan-2-yl)amino]ethoxy]-3-methyl-N-propan-2-ylbutan-1-amine
SMILESCC(C)NCC(OCCN(C(C)C)C(C)C)C(C)C
InChIInChI=1S/C16H36N2O/c1-12(2)16(11-17-13(3)4)19-10-9-18(14(5)6)15(7)8/h12-17H,9-11H2,1-8H3
InChIKeyCCEBQUGLSQBFOH-UHFFFAOYSA-N
MW272.48 g/mol
LogP3.14
Rot. Bonds10

About 2-[2-[di(propan-2-yl)amino]ethoxy]-3-methyl-N-propan-2-ylbutan-1-amine

2-[2-[di(propan-2-yl)amino]ethoxy]-3-methyl-N-propan-2-ylbutan-1-amine (PubChem CID 115505833) has the molecular formula C16H36N2O and a molecular weight of 272.48 g/mol. Its IUPAC name is 2-[2-[di(propan-2-yl)amino]ethoxy]-3-methyl-N-propan-2-ylbutan-1-amine.

Molecular Properties

Compound Name2-[2-[di(propan-2-yl)amino]ethoxy]-3-methyl-N-propan-2-ylbutan-1-amine
PubChem CID115505833
Molecular FormulaC16H36N2O
Molecular Weight272.48 g/mol
Exact Mass272.28
IUPAC Name2-[2-[di(propan-2-yl)amino]ethoxy]-3-methyl-N-propan-2-ylbutan-1-amine
SMILESCC(C)NCC(OCCN(C(C)C)C(C)C)C(C)C
InChIInChI=1S/C16H36N2O/c1-12(2)16(11-17-13(3)4)19-10-9-18(14(5)6)15(7)8/h12-17H,9-11H2,1-8H3
InChIKeyCCEBQUGLSQBFOH-UHFFFAOYSA-N
XLogP3.14
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.48
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[di(propan-2-yl)amino]ethoxy]-3-methylbutan-1-amine
CID 115505872
3-methyl-2-(4-methylpentoxy)-N-propan-2-ylbutan-1-amine
CID 62456225
2-[3-(2-methoxyethoxy)propoxy]-3-methyl-N-propan-2-ylbutan-1-amine
CID 103406315
3-methyl-2-(2-phenylethoxy)-N-propan-2-ylbutan-1-amine
CID 115003011
2-N-butan-2-yl-2-N-(2-methoxyethyl)-3-methyl-1-N-propan-2-ylbutane-1,2-diamine
CID 62462781
2-but-2-enoxy-3-methyl-N-propan-2-ylbutan-1-amine
CID 76943487
2-[2-[di(propan-2-yl)amino]ethoxy]-N-methylbutan-1-amine
CID 115505812
4-[2-[di(propan-2-yl)amino]ethoxy]-N-(2-methylpropyl)pentan-1-amine
CID 115505891
N-[2-[2-[di(propan-2-yl)amino]ethoxy]-3-methoxypropyl]-2-methylpropan-2-amine
CID 103228941
3-N-(2-methoxyethyl)-1-N,3-N-di(propan-2-yl)butane-1,3-diamine
CID 82953440
2-N-(2-methoxyethyl)-2-N-pentan-3-yl-1-N-propan-2-ylbutane-1,2-diamine
CID 55072255
2-cyclobutyloxy-3-methyl-N-propan-2-ylbutan-1-amine
CID 62442191

Frequently Asked Questions

What is the IUPAC name of 2-[2-[di(propan-2-yl)amino]ethoxy]-3-methyl-N-propan-2-ylbutan-1-amine?
The IUPAC name of 2-[2-[di(propan-2-yl)amino]ethoxy]-3-methyl-N-propan-2-ylbutan-1-amine (CID 115505833) is 2-[2-[di(propan-2-yl)amino]ethoxy]-3-methyl-N-propan-2-ylbutan-1-amine.
What is the SMILES notation for 2-[2-[di(propan-2-yl)amino]ethoxy]-3-methyl-N-propan-2-ylbutan-1-amine?
The canonical SMILES for 2-[2-[di(propan-2-yl)amino]ethoxy]-3-methyl-N-propan-2-ylbutan-1-amine is CC(C)NCC(OCCN(C(C)C)C(C)C)C(C)C.
What is the InChIKey of 2-[2-[di(propan-2-yl)amino]ethoxy]-3-methyl-N-propan-2-ylbutan-1-amine?
The InChIKey is CCEBQUGLSQBFOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H36N2O/c1-12(2)16(11-17-13(3)4)19-10-9-18(14(5)6)15(7)8/h12-17H,9-11H2,1-8H3.
What are the key properties of 2-[2-[di(propan-2-yl)amino]ethoxy]-3-methyl-N-propan-2-ylbutan-1-amine?
2-[2-[di(propan-2-yl)amino]ethoxy]-3-methyl-N-propan-2-ylbutan-1-amine has a molecular weight of 272.48 g/mol, XLogP of 3.14, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[di(propan-2-yl)amino]ethoxy]-3-methyl-N-propan-2-ylbutan-1-amine is sourced from PubChem (CID 115505833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).